Crystallographic Information File (CIF) of the magnesium phosphate mineral struvite collected by single-crystal X-Ray diffraction

DOI

Crystallographic Information File (CIF) of the magnesium phosphate mineral struvite collected by single-crystal X-Ray diffraction. 

The magnesium phosphate mineral struvite (MgNH4PO4·6H2O) is of interest for the recovery of phosphorus from wastewaters and for use as a fertilizer in agriculture, yet its structure is still debated. The structure of synthetic single crystals of struvite was characterized through refinement of a single-crystal X-ray diffraction pattern acquired at 100 K. The crystal structure was processed into a crystallographic information file (CIF), which is an internationally used data format used by crystallographers, mineralogists and chemists, containing all relevant information about the structure of a specific crystalline phase (Hall et al.: International Tables for Crystallography (2006). Vol. G, ch. 2.2, pp. 20-36). Detailed description and experimental outline of the structural determination is found in Volkmann et al. (2024), DOI: https://doi.org/10.31223/X5KQ4F

Identifier
DOI https://doi.org/10.5880/GFZ.3.5.2024.001
Related Identifier https://doi.org/10.31223/X5KQ4F
Related Identifier https://doi.org/10.1107/97809553602060000728
Metadata Access http://doidb.wdc-terra.org/oaip/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:doidb.wdc-terra.org:7872
Provenance
Creator Volkmann, Rebecca ORCID logo; Muenchhalfen, Marie ORCID logo; Benning, Liane G. ORCID logo
Publisher GFZ Data Services
Contributor Volkmann, Rebecca; Muenchhalfen, Marie; Benning, Liane G.
Publication Year 2024
Funding Reference International Crystallography Union Bursary; European Crystallographic Association Bursary; The Cambridge Crystallographic Data Centre Bursary
Rights CC BY 4.0; http://creativecommons.org/licenses/by/4.0/
OpenAccess true
Contact Volkmann, Rebecca (GFZ German Research Centre for Geosciences, Potsdam, Germany)
Representation
Resource Type Dataset
Discipline Geosciences